2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid

C12H20N2O6 — CID 62088265

IUPAC2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid
SMILESCOC1CCCC1NC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C12H20N2O6/c1-20-9-4-2-3-7(9)13-12(19)14-8(11(17)18)5-6-10(15)16/h7-9H,2-6H2,1H3,(H,15,16)(H,17,18)(H2,13,14,19)
InChIKeyPQNNKQVRCXMTMG-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.17
Rot. Bonds7

About 2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid

2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid (PubChem CID 62088265) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid.

Molecular Properties

Compound Name2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid
PubChem CID62088265
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid
SMILESCOC1CCCC1NC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C12H20N2O6/c1-20-9-4-2-3-7(9)13-12(19)14-8(11(17)18)5-6-10(15)16/h7-9H,2-6H2,1H3,(H,15,16)(H,17,18)(H2,13,14,19)
InChIKeyPQNNKQVRCXMTMG-UHFFFAOYSA-N
XLogP0.17
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid
CID 107566778
4-methoxy-2-[(2-methoxycyclopentyl)carbamoylamino]butanoic acid
CID 62472524
(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910229
(2R)-3-(1H-imidazol-5-yl)-2-[(2-methoxycyclopentyl)carbamoylamino]propanoic acid
CID 104895161
2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid
CID 63999990
(2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid
CID 55033421
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanedioic acid
CID 103536379
(2S)-2-(1-azabicyclo[2.2.2]octan-3-ylcarbamoylamino)pentanedioic acid
CID 61189674
(2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid
CID 64743340
(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 107830518
2-[(1-methylpiperidin-4-yl)carbamoylamino]pentanedioic acid
CID 61198418
(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 107566972

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid?
The IUPAC name of 2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid (CID 62088265) is 2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid.
What is the SMILES notation for 2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid?
The canonical SMILES for 2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid is COC1CCCC1NC(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid?
The InChIKey is PQNNKQVRCXMTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-20-9-4-2-3-7(9)13-12(19)14-8(11(17)18)5-6-10(15)16/h7-9H,2-6H2,1H3,(H,15,16)(H,17,18)(H2,13,14,19).
What are the key properties of 2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid?
2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid has a molecular weight of 288.30 g/mol, XLogP of 0.17, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid is sourced from PubChem (CID 62088265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).